(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H18N2O5 — CID 52951492

IUPAC(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1
InChIInChI=1S/C18H18N2O5/c1-22-13-7-10(8-14(23-2)17(13)25-4)16(21)12-9-19-18-11(12)5-6-15(20-18)24-3/h5-9H,1-4H3,(H,19,20)
InChIKeyCMYGACLMQUEWSX-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.83
Rot. Bonds6

About (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52951492) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52951492
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1
InChIInChI=1S/C18H18N2O5/c1-22-13-7-10(8-14(23-2)17(13)25-4)16(21)12-9-19-18-11(12)5-6-15(20-18)24-3/h5-9H,1-4H3,(H,19,20)
InChIKeyCMYGACLMQUEWSX-UHFFFAOYSA-N
XLogP2.83
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 52951492) is (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2n1.
What is the InChIKey of (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CMYGACLMQUEWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-22-13-7-10(8-14(23-2)17(13)25-4)16(21)12-9-19-18-11(12)5-6-15(20-18)24-3/h5-9H,1-4H3,(H,19,20).
What are the key properties of (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 342.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52951492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).